pentyl 5-(4-ethynylphenyl)carbonyl-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: pentyl 5-(4-ethynylphenyl)carbonyl-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: pentyl 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-ethynylphenyl)-oxomethyl]-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid pentyl ester IUPAC Name: pentyl 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid amyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)C

Isomeric SMILES

CCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)C

InChI

InChI=1S/C23H25NO3/c1-4-6-7-14-27-23(26)19-12-13-24-20(19)15-16(3)21(24)22(25)18-10-8-17(5-2)9-11-18/h2,8-11,15,19H,4,6-7,12-14H2,1,3H3